N,N-dimethylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid

C10H17F3N2O3 — CID 118607702

IUPACN,N-dimethylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(C)C(=O)C1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H16N2O.C2HF3O2/c1-10(2)8(11)7-3-5-9-6-4-7;3-2(4,5)1(6)7/h7,9H,3-6H2,1-2H3;(H,6,7)
InChIKeyBODNXAJXTJSCOK-UHFFFAOYSA-N
MW270.25 g/mol
LogP0.71
Rot. Bonds1

About N,N-dimethylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid

N,N-dimethylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 118607702) has the molecular formula C10H17F3N2O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is N,N-dimethylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN,N-dimethylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID118607702
Molecular FormulaC10H17F3N2O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC NameN,N-dimethylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(C)C(=O)C1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H16N2O.C2HF3O2/c1-10(2)8(11)7-3-5-9-6-4-7;3-2(4,5)1(6)7/h7,9H,3-6H2,1-2H3;(H,6,7)
InChIKeyBODNXAJXTJSCOK-UHFFFAOYSA-N
XLogP0.71
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N,N-dimethylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid (CID 118607702) is N,N-dimethylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N,N-dimethylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N,N-dimethylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid is CN(C)C(=O)C1CCNCC1.O=C(O)C(F)(F)F.
What is the InChIKey of N,N-dimethylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is BODNXAJXTJSCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O.C2HF3O2/c1-10(2)8(11)7-3-5-9-6-4-7;3-2(4,5)1(6)7/h7,9H,3-6H2,1-2H3;(H,6,7).
What are the key properties of N,N-dimethylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid?
N,N-dimethylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 270.25 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118607702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).